ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate

C27H24N2O4 — CID 51367933

IUPACethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate
SMILESCCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C27H24N2O4/c1-4-32-27(31)19-10-12-21(13-11-19)28-26-22(16-20-7-5-6-8-24(20)33-26)25(30)29-23-14-9-17(2)15-18(23)3/h5-16H,4H2,1-3H3,(H,29,30)/b28-26-
InChIKeyTYCHCXVQSSOQQK-SGEDCAFJSA-N
MW440.50 g/mol
LogP5.71
Rot. Bonds5

About ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate

ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate (PubChem CID 51367933) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate
PubChem CID51367933
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Nameethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate
SMILESCCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C27H24N2O4/c1-4-32-27(31)19-10-12-21(13-11-19)28-26-22(16-20-7-5-6-8-24(20)33-26)25(30)29-23-14-9-17(2)15-18(23)3/h5-16H,4H2,1-3H3,(H,29,30)/b28-26-
InChIKeyTYCHCXVQSSOQQK-SGEDCAFJSA-N
XLogP5.71
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[3-(acetylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 35207170
2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide
CID 51367964
N-(2,4-dimethylphenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370469
N-(2,4-dimethylphenyl)-2-(2-fluorophenyl)iminochromene-3-carboxamide
CID 51367934
N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide
CID 51367954
N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367871
2-(4-ethylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367761
methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 51367720
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
2-(4-ethoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367828
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate?
The IUPAC name of ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate (CID 51367933) is ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate is CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate?
The InChIKey is TYCHCXVQSSOQQK-SGEDCAFJSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-4-32-27(31)19-10-12-21(13-11-19)28-26-22(16-20-7-5-6-8-24(20)33-26)25(30)29-23-14-9-17(2)15-18(23)3/h5-16H,4H2,1-3H3,(H,29,30)/b28-26-.
What are the key properties of ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate?
ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate has a molecular weight of 440.50 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate is sourced from PubChem (CID 51367933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).